3-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]propanoic acid

C15H22N2O2 — CID 63262981

IUPAC3-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(CCc2cccnc2)CC1
InChIInChI=1S/C15H22N2O2/c18-15(19)4-3-13-5-9-17(10-6-13)11-7-14-2-1-8-16-12-14/h1-2,8,12-13H,3-7,9-11H2,(H,18,19)
InChIKeyAENAJLJCYCQHKF-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.20
Rot. Bonds6

About 3-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]propanoic acid

3-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]propanoic acid (PubChem CID 63262981) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]propanoic acid
PubChem CID63262981
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(CCc2cccnc2)CC1
InChIInChI=1S/C15H22N2O2/c18-15(19)4-3-13-5-9-17(10-6-13)11-7-14-2-1-8-16-12-14/h1-2,8,12-13H,3-7,9-11H2,(H,18,19)
InChIKeyAENAJLJCYCQHKF-UHFFFAOYSA-N
XLogP2.20
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]ethanol
CID 115647965
2-methyl-N-[[1-(2-pyridin-3-ylethyl)piperidin-4-yl]methyl]propan-1-amine
CID 63849817
3-(2-pyrrolidin-1-ylethyl)pyridine
CID 23273673
1-[4-(2-phenylethyl)piperazin-1-yl]-3-pyridin-3-ylpropan-2-one
CID 68943810
3-pyridin-3-ylpropanoic acid;hydrochloride
CID 66648902
1-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 95570929
2-fluoro-5-[[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]methyl]benzoic acid;formic acid
CID 171710037
N-[4-[1-(2-phenylethyl)piperidin-4-yl]butyl]-3-pyridin-3-ylprop-2-enamide
CID 54406074
1,4-bis(2-phenylethyl)piperidine
CID 86059939
3-[(1-ethylpiperidin-4-yl)methyl]pyridine
CID 95821334
4-[[1-(3-pyridin-3-ylpropanoyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 70736736
3-(1-benzylazepan-4-yl)propanoic acid
CID 82624039

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]propanoic acid (CID 63262981) is 3-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]propanoic acid is O=C(O)CCC1CCN(CCc2cccnc2)CC1.
What is the InChIKey of 3-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]propanoic acid?
The InChIKey is AENAJLJCYCQHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c18-15(19)4-3-13-5-9-17(10-6-13)11-7-14-2-1-8-16-12-14/h1-2,8,12-13H,3-7,9-11H2,(H,18,19).
What are the key properties of 3-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]propanoic acid?
3-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]propanoic acid has a molecular weight of 262.35 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 63262981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).